2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide

C23H24FN5O2 — CID 53023524

IUPAC2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)c1
InChIInChI=1S/C23H24FN5O2/c1-17-3-2-4-19(15-17)25-22(30)16-29-23(31)10-9-21(26-29)28-13-11-27(12-14-28)20-7-5-18(24)6-8-20/h2-10,15H,11-14,16H2,1H3,(H,25,30)
InChIKeyJZDJYCOLAXIHNY-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.66
Rot. Bonds5

About 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53023524) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID53023524
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)c1
InChIInChI=1S/C23H24FN5O2/c1-17-3-2-4-19(15-17)25-22(30)16-29-23(31)10-9-21(26-29)28-13-11-27(12-14-28)20-7-5-18(24)6-8-20/h2-10,15H,11-14,16H2,1H3,(H,25,30)
InChIKeyJZDJYCOLAXIHNY-UHFFFAOYSA-N
XLogP2.66
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53051316
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
4-(4-fluorophenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 2175797
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108943
2-[11-(4-fluorophenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]-N-(3-methylphenyl)acetamide
CID 56685285
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide (CID 53023524) is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)c1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is JZDJYCOLAXIHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-17-3-2-4-19(15-17)25-22(30)16-29-23(31)10-9-21(26-29)28-13-11-27(12-14-28)20-7-5-18(24)6-8-20/h2-10,15H,11-14,16H2,1H3,(H,25,30).
What are the key properties of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 421.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53023524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).